N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

C19H27N3O — CID 25264656

IUPACN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C19H27N3O/c1-14-3-2-11-22(14)18-10-12-21(13-18)17-8-6-16(7-9-17)20-19(23)15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyYJTLIUOYMGJKGP-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.10
Rot. Bonds4

About N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 25264656) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID25264656
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C19H27N3O/c1-14-3-2-11-22(14)18-10-12-21(13-18)17-8-6-16(7-9-17)20-19(23)15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyYJTLIUOYMGJKGP-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Octacaine
CID 26329
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
CID 25229634
4-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264262
2,2,3,3-tetramethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
CID 25264658
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopentanecarboxamide
CID 25264794
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
N-[4-(diethylamino)phenyl]cyclopentanecarboxamide
CID 849594
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
N-(4-(Pyrrolidin-1-yl)phenyl)acetamide
CID 1480263
2,2-dimethyl-N-[4-(1-pyrrolidinyl)phenyl]propanamide
CID 1480272

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (CID 25264656) is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)C3CC3)cc2)C1.
What is the InChIKey of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is YJTLIUOYMGJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-3-2-11-22(14)18-10-12-21(13-18)17-8-6-16(7-9-17)20-19(23)15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25264656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).